Commit 9be7620a authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 92ff0974

src/Makefile

+49 −11
Original line number Diff line number Diff line
@@ -15,7 +15,12 @@ OBJ = $(SRC:.cpp=.o) 


PACKAGE = asphere class2 colloid dipole dpd granular \

	  kspace manybody meam molecule opt poems xtc



PACKUSER = user-ackland user-ewaldn



PACKUC = $(shell perl -e 'printf("%s", uc("$(PACKAGE)"));')

PACKUSERUC = $(shell perl -e 'printf("%s", uc("$(PACKUSER)"));')



YESDIR = $(shell perl -e 'printf("%s", uc("$(@:yes-%=%)"));')

NODIR  = $(shell perl -e 'printf("%s", uc("$(@:no-%=%)"));')
@@ -31,10 +36,15 @@ help: 
	@echo ''

	@echo 'make package             list available packages'

	@echo 'make package-status      status of all packages'

	@echo 'make yes-package         install a package in src dir'

	@echo 'make no-package          remove package files from src dir'

	@echo 'make yes-package         install a single package in src dir'

	@echo 'make no-package          remove a single package from src dir'

	@echo 'make yes-all             install all packages in src dir'

	@echo 'make no-all              remove all package files from src dir'

	@echo 'make no-all              remove all packages from src dir'

	@echo 'make yes-standard        install all standard packages'

	@echo 'make no-standard         remove all standard packages'

	@echo 'make yes-user            install all user packages'

	@echo 'make no-user             remove all user packages'

	@echo ''

	@echo 'make package-update      replace src files with package files'

	@echo 'make package-overwrite   replace package files with src files'

	@echo ''
@@ -86,27 +96,45 @@ makelist: 
	@csh Make.csh Makefile.list



# Package management

# status =    list differences between src and package files

# update =    replace src files with newer package files

# overwrite = overwrite package files with newer src files



package:

	@echo 'Available packages:'

	@echo $(PACKAGE)

	@echo 'Standard packages:' $(PACKAGE)

	@echo ''

	@echo 'User-contributed packages:' $(PACKUSER)

	@echo ''

	@echo 'make package             list available packages'

	@echo 'make package-status      status of all packages'

	@echo 'make yes-package         install a package in src dir'

	@echo 'make no-package          remove package files from src dir'

	@echo 'make yes-package         install a single package in src dir'

	@echo 'make no-package          remove a single package from src dir'

	@echo 'make yes-all             install all packages in src dir'

	@echo 'make no-all              remove all package files from src dir'

	@echo 'make no-all              remove all packages from src dir'

	@echo 'make yes-standard        install all standard packages'

	@echo 'make no-standard         remove all standard packages'

	@echo 'make yes-user            install all user packages'

	@echo 'make no-user             remove all user packages'

	@echo ''

	@echo 'make package-update      replace src files with package files'

	@echo 'make package-overwrite   replace package files with src files'



yes-all:

	@for p in $(PACKAGE); do $(MAKE) yes-$$p; done

	@for p in $(PACKUSER); do $(MAKE) yes-$$p; done



no-all:

	@for p in $(PACKAGE); do $(MAKE) no-$$p; done

	@for p in $(PACKUSER); do $(MAKE) no-$$p; done



yes-standard:

	@for p in $(PACKAGE); do $(MAKE) yes-$$p; done



no-standard:

	@for p in $(PACKAGE); do $(MAKE) no-$$p; done



yes-user:

	@for p in $(PACKUSER); do $(MAKE) yes-$$p; done



no-user:

	@for p in $(PACKUSER); do $(MAKE) no-$$p; done



yes-%:

	@if [ ! -e $(YESDIR) ]; then \
@@ -124,11 +152,21 @@ no-%: 
	  cd $(NODIR); csh -f Install.csh 0; cd ..; $(MAKE) clean-all; \

        fi;



# status = list differences between src and package files

# update = replace src files with newer package files

# overwrite = overwrite package files with newer src files



package-status:

	@for p in $(PACKUC); do csh -f Package.csh $$p status; done

	@echo ''

	@for p in $(PACKUSERUC); do csh -f Package.csh $$p status; done



package-update:

	@for p in $(PACKUC); do csh -f Package.csh $$p update; done

	@echo ''

	@for p in $(PACKUSERUC); do csh -f Package.csh $$p update; done



package-overwrite:

	@for p in $(PACKUC); do csh -f Package.csh $$p overwrite; done

	@echo ''

	@for p in $(PACKUSERUC); do csh -f Package.csh $$p overwrite; done

src/Package.csh

+1 −1
Original line number Diff line number Diff line
@@ -27,7 +27,7 @@ 
#   just longer than the other (has new stuff added)



set glob

set style = `echo $1 | sed 'y/ABCDEFGHIJKLMNOPQRSTUVWXYZ/abcdefghijklmnopqrstuvwxyz/'`

set style = `echo $1 | sed 'y/-ABCDEFGHIJKLMNOPQRSTUVWXYZ/_abcdefghijklmnopqrstuvwxyz/'`

cd $1



if ($2 == "status") then

src/atom.cpp

+8 −8
Original line number Diff line number Diff line
@@ -212,7 +212,7 @@ Atom::~Atom() 
   called from input script, restart file, replicate

------------------------------------------------------------------------- */



void Atom::create_avec(char *style, int narg, char **arg)

void Atom::create_avec(const char *style, int narg, char **arg)

{

  delete [] atom_style;

  if (avec) delete avec;
@@ -232,7 +232,7 @@ void Atom::create_avec(char *style, int narg, char **arg) 
   generate an AtomVec class

------------------------------------------------------------------------- */



AtomVec *Atom::new_avec(char *style, int narg, char **arg)

AtomVec *Atom::new_avec(const char *style, int narg, char **arg)

{

  if (0) return NULL;
@@ -274,7 +274,7 @@ void Atom::init() 
   else return 0

------------------------------------------------------------------------- */



int Atom::style_match(char *style)

int Atom::style_match(const char *style)

{

  if (strcmp(atom_style,style) == 0) return 1;

  else if (strcmp(atom_style,"hybrid") == 0) {
@@ -602,7 +602,7 @@ int Atom::tag_consecutive() 
   trim anything from '#' onward

------------------------------------------------------------------------- */



int Atom::count_words(char *line)

int Atom::count_words(const char *line)

{

  int n = strlen(line) + 1;

  char *copy = (char *) memory->smalloc(n*sizeof(char),"copy");
@@ -991,7 +991,7 @@ void Atom::allocate_type_arrays() 
   called from reading of data file

------------------------------------------------------------------------- */



void Atom::set_mass(char *str)

void Atom::set_mass(const char *str)

{

  if (mass == NULL) error->all("Cannot set mass for this atom style");
@@ -1067,7 +1067,7 @@ void Atom::check_mass() 
   called from reading of data file

------------------------------------------------------------------------- */



void Atom::set_shape(char *str)

void Atom::set_shape(const char *str)

{

  if (shape == NULL) error->all("Cannot set shape for this atom style");
@@ -1140,7 +1140,7 @@ void Atom::check_shape() 
   called from reading of data file

------------------------------------------------------------------------- */



void Atom::set_dipole(char *str)

void Atom::set_dipole(const char *str)

{

  if (dipole == NULL) error->all("Cannot set dipole for this atom style");
@@ -1244,7 +1244,7 @@ void Atom::add_callback(int flag) 
   flag = 0 for grow, 1 for restart

------------------------------------------------------------------------- */



void Atom::delete_callback(char *id, int flag)

void Atom::delete_callback(const char *id, int flag)

{

  int ifix;

  for (ifix = 0; ifix < modify->nfix; ifix++)

src/atom.h

+9 −9
Original line number Diff line number Diff line
@@ -97,17 +97,17 @@ class Atom : protected Pointers { 
  Atom(class LAMMPS *);

  ~Atom();



  void create_avec(char *, int, char **);

  class AtomVec *new_avec(char *, int, char **);

  void create_avec(const char *, int, char **);

  class AtomVec *new_avec(const char *, int, char **);

  void init();



  int style_match(char *);

  int style_match(const char *);

  void modify_params(int, char **);

  void tag_extend();

  int tag_consecutive();



  int parse_data(char *);

  int count_words(char *);

  int parse_data(const char *);

  int count_words(const char *);



  void data_atoms(int, char *);

  void data_vels(int, char *);
@@ -117,22 +117,22 @@ class Atom : protected Pointers { 
  void data_impropers(int, char *);



  void allocate_type_arrays();

  void set_mass(char *);

  void set_mass(const char *);

  void set_mass(int, double);

  void set_mass(int, char **);

  void set_mass(double *);

  void check_mass();

  void set_shape(char *);

  void set_shape(const char *);

  void set_shape(int, char **);

  void set_shape(double **);

  void check_shape();

  void set_dipole(char *);

  void set_dipole(const char *);

  void set_dipole(int, char **);

  void set_dipole(double *);

  void check_dipole();



  void add_callback(int);

  void delete_callback(char *, int);

  void delete_callback(const char *, int);

  void update_callback(int);



  int memory_usage();

src/compute.cpp

+4 −1
Original line number Diff line number Diff line
@@ -49,9 +49,9 @@ Compute::Compute(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp) 
  

  scalar_flag = vector_flag = peratom_flag = 0;

  tempflag = pressflag = 0;

  npre = 0;

  id_pre = NULL;

  comm_forward = comm_reverse = 0;

  neigh_half_once = neigh_full_once = 0;



  // set modify defaults
@@ -65,6 +65,9 @@ Compute::~Compute() 
{

  delete [] id;

  delete [] style;



  for (int i = 0; i < npre; i++) delete [] id_pre[i];

  delete [] id_pre;

}



/* ---------------------------------------------------------------------- */

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